Ab Initio MO Calculations for Isomerization Mechanism of the 3-Oxocyclopentylmethyl Radical to the 3-Oxocyclohexyl Radical

Ilhyong Ryu*, Hiroshi Fukushima, Tohru Okuda, Kazutoshi Matsu, Nobuaki Kambe, Noboru Sonoda, Mitsuo Komatsu

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

23 Scopus citations

Abstract

An ab initio MO calculation study concerning the isomerization mechanism of the 3-oxocyclopentylmethyl radical to the 3-oxocyclohexyl radical was carried out. Comparison of the energies between the reverting process, leading to the ring-opened 5-hexenoyl radical (path a) and the isomerization pathway (path b) resulted in an energetic preference for the latter. The cyclopropoxy radical intermediate was not rigorously supported at the levels of calculations examined.

Original languageEnglish
Pages (from-to)1265-1268
Number of pages4
JournalSynlett
Volume1997
Issue number11
DOIs
StatePublished - 1 Jan 1997

Fingerprint

Dive into the research topics of 'Ab Initio MO Calculations for Isomerization Mechanism of the 3-Oxocyclopentylmethyl Radical to the 3-Oxocyclohexyl Radical'. Together they form a unique fingerprint.

Cite this